Geometry & MOs

Info

ID:	348566
PubChem CID:	127273677
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	334.24811
ΔH_f, kcal/mol:	-2.28
Dipole, Da:	10.01
IP(EA), eV:	-8.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CCN1CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations